Geometry & MOs

Info

ID:	273672
PubChem CID:	103771661
Reduced:	BrNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	350.99286
ΔH_f, kcal/mol:	-29.78
Dipole, Da:	3.22
IP(EA), eV:	-9.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C=C/C(=O)NCC(C2=CSC=C2)O)Br

DOS

IR

Vibrations